Hello all,I'm studing The LiF(001) fcc structure. I try to stabilize my system
but my problem is always when I run a job to calculate the K-point
{(441),(661),(881)} convergence, this calcul does not converge.In the scf
output, I always found this sentence "convergence NOT achived after 100
iterations : stoping"can you help me ???
Best regards.
********************************************************
Ilahi Asma ,
phone number:
216 95 604 127
Phd.student,
UR "Physical Properties of Heterostructures ",
PhysicsDepartment,Faculty of Sciences Tunis,
Campus University, 2092 Manar, Tunis,Tunisia.
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